4-methyloctan-1-ol;propan-2-ol

C12H28O2 — CID 18620283

IUPAC4-methyloctan-1-ol;propan-2-ol
SMILESCC(C)O.CCCCC(C)CCCO
InChIInChI=1S/C9H20O.C3H8O/c1-3-4-6-9(2)7-5-8-10;1-3(2)4/h9-10H,3-8H2,1-2H3;3-4H,1-2H3
InChIKeyQMNQACINKYLJQX-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.97
Rot. Bonds6

About 4-methyloctan-1-ol;propan-2-ol

4-methyloctan-1-ol;propan-2-ol (PubChem CID 18620283) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 4-methyloctan-1-ol;propan-2-ol.

Molecular Properties

Compound Name4-methyloctan-1-ol;propan-2-ol
PubChem CID18620283
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name4-methyloctan-1-ol;propan-2-ol
SMILESCC(C)O.CCCCC(C)CCCO
InChIInChI=1S/C9H20O.C3H8O/c1-3-4-6-9(2)7-5-8-10;1-3(2)4/h9-10H,3-8H2,1-2H3;3-4H,1-2H3
InChIKeyQMNQACINKYLJQX-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10-methylhexadecan-1-ol
CID 10244159
7-methylpentadecan-1-ol
CID 18427312
6-methylhexadecan-1-ol
CID 22027437
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
butan-1-ol;methanol;propan-2-ol
CID 23284119
4,7-dimethylnonan-1-ol
CID 87272409
(5S)-5-methyloctan-1-ol
CID 14902476
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
4-methylheptan-1-ol;nonan-3-ol
CID 135150427
2-methylhexan-1-ol
CID 159157237
(3S)-3-methylnonacosan-1-ol
CID 10836783

Frequently Asked Questions

What is the IUPAC name of 4-methyloctan-1-ol;propan-2-ol?
The IUPAC name of 4-methyloctan-1-ol;propan-2-ol (CID 18620283) is 4-methyloctan-1-ol;propan-2-ol.
What is the SMILES notation for 4-methyloctan-1-ol;propan-2-ol?
The canonical SMILES for 4-methyloctan-1-ol;propan-2-ol is CC(C)O.CCCCC(C)CCCO.
What is the InChIKey of 4-methyloctan-1-ol;propan-2-ol?
The InChIKey is QMNQACINKYLJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C3H8O/c1-3-4-6-9(2)7-5-8-10;1-3(2)4/h9-10H,3-8H2,1-2H3;3-4H,1-2H3.
What are the key properties of 4-methyloctan-1-ol;propan-2-ol?
4-methyloctan-1-ol;propan-2-ol has a molecular weight of 204.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloctan-1-ol;propan-2-ol is sourced from PubChem (CID 18620283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).